2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanyl-5-ethyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-5-ethyl-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-5-ethyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]-5-ethyl-6-methyl-pyrimidin-4-olate Formula: C18H20N3O2S- MolecularWeight: 342.4353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1[O-])SCC(=O)N2CCCC3=CC=CC=C32)C

Isomeric SMILES

CCC1=C(N=C(N=C1[O-])SCC(=O)N2CCCC3=CC=CC=C32)C

InChI

InChI=1S/C18H21N3O2S/c1-3-14-12(2)19-18(20-17(14)23)24-11-16(22)21-10-6-8-13-7-4-5-9-15(13)21/h4-5,7,9H,3,6,8,10-11H2,1-2H3,(H,19,20,23)/p-1